4-bromo-2-methyl-N-(4-methylpiperidin-4-yl)benzamide

C14H19BrN2O — CID 114696498

IUPAC4-bromo-2-methyl-N-(4-methylpiperidin-4-yl)benzamide
SMILESCc1cc(Br)ccc1C(=O)NC1(C)CCNCC1
InChIInChI=1S/C14H19BrN2O/c1-10-9-11(15)3-4-12(10)13(18)17-14(2)5-7-16-8-6-14/h3-4,9,16H,5-8H2,1-2H3,(H,17,18)
InChIKeyQBKUGHCGCDUJCO-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.63
Rot. Bonds2

About 4-bromo-2-methyl-N-(4-methylpiperidin-4-yl)benzamide

4-bromo-2-methyl-N-(4-methylpiperidin-4-yl)benzamide (PubChem CID 114696498) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 4-bromo-2-methyl-N-(4-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-methyl-N-(4-methylpiperidin-4-yl)benzamide
PubChem CID114696498
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name4-bromo-2-methyl-N-(4-methylpiperidin-4-yl)benzamide
SMILESCc1cc(Br)ccc1C(=O)NC1(C)CCNCC1
InChIInChI=1S/C14H19BrN2O/c1-10-9-11(15)3-4-12(10)13(18)17-14(2)5-7-16-8-6-14/h3-4,9,16H,5-8H2,1-2H3,(H,17,18)
InChIKeyQBKUGHCGCDUJCO-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-(1-methylcyclobutyl)benzamide
CID 103883316
2,4-dichloro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120567340
2,4-difluoro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120567147
4-bromo-N-(1-methylcyclopentyl)-2-sulfanylbenzamide
CID 107023881
4-hydroxy-2-methyl-N-(4-methyloxan-4-yl)benzamide
CID 113341747
4-bromo-2-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79689167
5-bromo-2-hydroxy-N-(1-methylcyclohexyl)benzamide
CID 107729723
4-bromo-2-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451440
5-chloro-2-methyl-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107423069
4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 120554553
(4-bromo-2-methylphenyl)-piperazin-1-ylmethanone
CID 43629489
3-chloro-4-hydroxy-N-(4-methylpiperidin-4-yl)benzamide
CID 114696153

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-N-(4-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-bromo-2-methyl-N-(4-methylpiperidin-4-yl)benzamide (CID 114696498) is 4-bromo-2-methyl-N-(4-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-bromo-2-methyl-N-(4-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-bromo-2-methyl-N-(4-methylpiperidin-4-yl)benzamide is Cc1cc(Br)ccc1C(=O)NC1(C)CCNCC1.
What is the InChIKey of 4-bromo-2-methyl-N-(4-methylpiperidin-4-yl)benzamide?
The InChIKey is QBKUGHCGCDUJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-9-11(15)3-4-12(10)13(18)17-14(2)5-7-16-8-6-14/h3-4,9,16H,5-8H2,1-2H3,(H,17,18).
What are the key properties of 4-bromo-2-methyl-N-(4-methylpiperidin-4-yl)benzamide?
4-bromo-2-methyl-N-(4-methylpiperidin-4-yl)benzamide has a molecular weight of 311.22 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-N-(4-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 114696498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).